SCHEMBL7424619

SCHEMBL7424619

CC(C)CC(NCC(C(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1)C(=O)OC(=O)C(CC(C)C)NC(Cc1ccc(Cc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 4/20 0.46
GPR142 Q7Z601 1/20 0.45
MAPT P10636 2/20 0.43
ELOVL1 Q9BW60 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41
CAPN1 P07384 2/20 0.41
MME P08473 1/20 0.40
PARP1 P09874 1/20 0.40
PKM P14618 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7428381 0.83 MEN1 (0.53) MRE11MAPTELOVL1NPC1RAB9A
SCHEMBL7424422 0.83 MEN1 (0.53) MRE11MAPTELOVL1NPC1RAB9A
SCHEMBL22491245 0.76 MAPT (0.48) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL7424611 0.75 ELOVL1 (0.46) MAPTELOVL1NPC1RAB9ACASP3
SCHEMBL7422773 0.75 RAB9A (0.46) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL3335375 0.74 MRE11 (0.67) MRE11GPR142MAPTELOVL1NPC1
SCHEMBL3331466 0.72 PKM (0.65) MRE11GPR142MAPTELOVL1NPC1
SCHEMBL29276746 0.71 LMNA (0.58) MRE11GPR142MAPTELOVL1RAB9A
SCHEMBL5869395 0.71 MEN1 (0.60) MAPTELOVL1NPC1RAB9ACASP3
SCHEMBL5869382 0.71 MEN1 (0.60) MAPTELOVL1NPC1RAB9ACASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed